SCHEMBL4472202

SCHEMBL4472202

Cc1cc(C)c2c(C#N)c(C=CC(=O)N3CCSCC3)n(C3Cc4ccccc4C3)c2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.37
KDM4E B2RXH2 4/20 0.37
HPGD P15428 2/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TRPV1 Q8NER1 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HTT P42858 1/20 0.33
HIF1A Q16665 1/20 0.33
MAPT P10636 5/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
RECQL P46063 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
AR P10275 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.31
GPR4 P46093 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4472195 1.00 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL4480593 0.91 RAB9A (0.39) ALDH1A1KDM4EHPGDHSD17B10TRPV1
SCHEMBL4480588 0.91 RAB9A (0.39) ALDH1A1KDM4EHPGDHSD17B10TRPV1
SCHEMBL4478460 0.87 POLB (0.40) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL4478465 0.87 POLB (0.40) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL4474294 0.87 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDHTTHIF1A
SCHEMBL4474286 0.87 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDHTTHIF1A
SCHEMBL4465216 0.81 MAPT (0.37) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL4466965 0.80 RAB9A (0.36) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL4466960 0.80 RAB9A (0.36) ALDH1A1KDM4EHPGDMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582651-B2 Pyrrolopyridine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-01 US disclosed
US-20060167038-A1 Pyrrolopyridine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-27 US disclosed
EP-1535922-A1 PYRROLOPYRIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-06-01 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060167038-A1 Pyrrolopyridine derivative and use thereof OPRD1, TRPV1, OPRM1 ALDH1A1 1363/4885KDM4E 2991/4885HPGD 75/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.